SCHEMBL4757746

SCHEMBL4757746

Cc1cc(CN2CCN(c3c(Br)cnc4[nH]c(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5)nc34)CC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 18/20 0.51
WNT3A P56704 1/20 0.48
AURKA O14965 1/20 0.46
IKBKE Q14164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13985647 0.88 AURKA (0.51) TBK1AURKA
SCHEMBL211958 0.88 AURKA (0.52) TBK1AURKA
SCHEMBL13985739 0.87 TBK1 (0.52) TBK1WNT3AIKBKE
SCHEMBL13985706 0.87 AURKA (0.44) TBK1AURKA
SCHEMBL13985592 0.86 TBK1 (0.42) TBK1AURKA
SCHEMBL4757466 0.86 AURKA (0.64) AURKA
SCHEMBL13985741 0.85 AURKA (0.43) TBK1WNT3AAURKA
SCHEMBL4757493 0.85 AURKA (0.54) AURKA
SCHEMBL211868 0.84 AURKA (0.48) TBK1WNT3AAURKA
SCHEMBL210953 0.83 AURKA (0.54) TBK1AURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed